Organic Chemistry Frontiers · 2021 · 20 citations · 50 references
Natural SciencesChemistryMedicinal ChemistryCatalysisComputational ChemistryComputational Medicinal ChemistryAddition ReactionsHeterocycle SynthesisHeterocyclic ChemistryMacrocycle SynthesisOrganic SynthesisRetrosynthetic AnalysisAsymmetric Heterocycle SynthesisAsymmetric SynthesisPyrazole ChemistryPyrazole Synthesis
Herein we present the first asymmetric synthesis of spiropyrazolone γ-butyrolactones from 1 H -pyrazol-4,5-diones and enals by an NHC-catalysed [3 + 2] annulation. DFT calculations carried out predict the experimental configuration of final adducts.
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Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text
Natural Sciences, Chemistry, Physics +17
Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar · The Journal of Physical Chemistry B · 2009 · 17.4K citations · Full text
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Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao, Zhengting Gan, Evgeny Epifanovsky et al. · Molecular Physics · 2014 · 3.1K citations
Natural Sciences, Chemistry, Physics +17